SCHEMBL30424799

SCHEMBL30424799

Nc1nc2ccc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)c3)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.64
▸ PI4KA P42356 14/20 0.64
▸ PI4KB Q9UBF8 14/20 0.64
▸ PIK3CD O00329 12/20 0.64
▸ PIK3CG P48736 11/20 0.64
▸ PIK3CB P42338 10/20 0.64
▸ PIP5K1C O60331 4/20 0.53
▸ MET P08581 1/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25240955 1.00 PIK3CA (0.64) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL25267881 0.89 PIK3CA (0.54) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL30425066 0.86 HDAC6 (0.50) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL25216541 0.86 HDAC6 (0.50) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL30424712 0.82 HDAC6 (0.42) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL25387357 0.82 HDAC6 (0.42) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL30424948 0.81 KCNH2 (0.41) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL25236686 0.81 KCNH2 (0.41) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL25386557 0.80 HDAC6 (0.40) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL30424439 0.80 HDAC6 (0.40) PIK3CAPI4KAPI4KBPIK3CDPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN claimed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN claimed
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN disclosed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN disclosed
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